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.alpha.,.alpha.-Bis(3,5-di-tert-butyl-1-azulenyl)-3,5-di-tert-butyl-1,4-benzoquinone Methide
SpectraBase Compound ID 7WOyZYnVaC6
InChI InChI=1S/C51H66O/c1-46(2,3)31-21-19-23-34-36(25-31)40(48(7,8)9)29-38(34)44(45-42(50(13,14)15)27-33(52)28-43(45)51(16,17)18)39-30-41(49(10,11)12)37-26-32(47(4,5)6)22-20-24-35(37)39/h19-30H,1-18H3
InChIKey DDZIXPDTIUPWNR-UHFFFAOYSA-N
Mol Weight 695.1 g/mol
Molecular Formula C51H66O
Exact Mass 694.511367 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FRiKLJdP8cP
Name .alpha.,.alpha.-Bis(3,5-di-tert-butyl-1-azulenyl)-3,5-di-tert-butyl-1,4-benzoquinone Methide
Alternate Name(s) 4-[bis(3,5-ditert-butyl-1-azulenyl)methylene]-3,5-ditert-butyl-2,5-cyclohexadien-1-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C51H66O
InChI InChI=1S/C51H66O/c1-46(2,3)31-21-19-23-34-36(25-31)40(48(7,8)9)29-38(34)44(45-42(50(13,14)15)27-33(52)28-43(45)51(16,17)18)39-30-41(49(10,11)12)37-26-32(47(4,5)6)22-20-24-35(37)39/h19-30H,1-18H3
InChIKey DDZIXPDTIUPWNR-UHFFFAOYSA-N
Molecular Weight 695.088 g/mol
SMILES C1(=C(c2c3c(cc(C(C)(C)C)ccc3)c(c2)C(C)(C)C)c2c3c(cc(C(C)(C)C)ccc3)c(c2)C(C)(C)C)C(=CC(C=C1C(C)(C)C)=O)C(C)(C)C
SPLASH splash10-052f-2000009000-0e4fe5b40a4efd18d0e5
Source of Spectrum J-62-2431-6
Wiley ID 1414899